Metal–Organic Frameworks for Toxic Gas Sensing: From Molecular Engineering to Device Integration

In recent years, metal-organic frameworks (MOFs) have emerged as highly promising materials for advanced gas sensing owing to their tunable pore structures, high surface area, and chemical versatility. The urgent need for portable, selective detection of industrial pollutants and chemical warfare agents motivates a comprehensive assessment of MOF-based sensors. This review examines the evolution of MOF films and their integration with field-effect transistors (FETs), particularly organic FETs (OFETs). It connects molecular-level adsorption and diffusion processes, such as grain boundary ingress, stress-driven film recrystallization, and π-π interactions, to device-level charge transport and response. Highlighting key case studies like CPO-27-Ni OFET sensors for mustard simulants, we articulate design principles for MOF selection, thin-film deposition, and device architecture. Persistent challenges, electrical conductivity, film processability, and environmental stability, are discussed alongside advances such as mixed-metal MOFs, hydrophobic modifications, and artificial intelligence-guided MOF discovery. We show why MOF-semiconductor hybrids are poised to enable next-generation toxic gas sensors for environmental, industrial, and defense use.